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39 #ifndef ATOM_LABELS_HEADER
40 #define ATOM_LABELS_HEADER
#define kMaxNoOfAtomTypes
Definition: atom_labels.cc:47
Provides a way to map atom labels to their charges. The main procedure provided by this file is get_c...
int get_atom_label_from_charge_int(int charge, char *atomLabelString, size_t bufferSize)
Definition: atom_labels.cc:141
int charge
Definition: grid_test.cc:51
int get_charge_int_from_atom_label(const char *atomLabel)
Definition: atom_labels.cc:111
int get_charge_int_from_atom_label(const char *atomLabel)
Definition: atom_labels.cc:111
static void setupLabelList(std::string labelList[])
Definition: atom_labels.cc:50
int get_atom_label_from_charge_int(int charge, char *atomLabelString, size_t bufferSize)
Definition: atom_labels.cc:141